@MOLECULE o-tert-butyl-l-tyrosine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.3426 1.7229 -0.5443 N.3 1 UNL1111111111 -1.0265 2 C -0.8673 0.1477 0.7219 C.ar 1 UNL1111111111 0.1111 3 O 3.1685 0.7055 0.0909 O.3 1 UNL1111111111 -0.2812 4 C 1.8650 0.4019 0.2799 C.ar 1 UNL1111111111 0.2518 5 C -2.3424 0.0138 0.9463 C.3 1 UNL1111111111 -0.6353 6 C 3.6989 -0.9809 -1.5849 C.3 1 UNL1111111111 -1.0623 7 C 5.3402 0.6648 -0.5968 C.3 1 UNL1111111111 -0.9277 8 C 4.4621 -1.2173 0.8361 C.3 1 UNL1111111111 -1.0719 9 C 4.1468 -0.2637 -0.3149 C.3 1 UNL1111111111 0.7753 10 C -4.4325 -0.4743 -0.3332 C.2 1 UNL1111111111 0.1245 11 CA -3.1090 0.2858 -0.3695 C.3 1 UNL1111111111 0.4355 12 C -0.0421 -0.9722 0.7700 C.ar 1 UNL1111111111 -0.2002 13 C -0.3152 1.4078 0.4536 C.ar 1 UNL1111111111 -0.1839 14 C 1.3307 -0.8561 0.5507 C.ar 1 UNL1111111111 -0.3655 15 C 1.0441 1.5455 0.2327 C.ar 1 UNL1111111111 -0.3917 16 OXT -5.5390 -0.0094 -0.2592 O.2 1 UNL1111111111 -0.3467 17 H1 -3.7334 1.9427 -1.4476 H 1 UNL1111111111 0.3643 18 H2 -3.9413 2.1075 0.1725 H 1 UNL1111111111 0.4112 19 H -2.5910 -1.0001 1.3256 H 1 UNL1111111111 0.2635 20 H -2.6735 0.7175 1.7391 H 1 UNL1111111111 0.2557 21 H 3.4321 -0.2596 -2.3684 H 1 UNL1111111111 0.2610 22 H 4.4938 -1.6236 -1.9781 H 1 UNL1111111111 0.3059 23 H 2.8166 -1.6095 -1.4211 H 1 UNL1111111111 0.2899 24 H 5.6615 1.1792 0.3173 H 1 UNL1111111111 0.2758 25 H 6.1902 0.1061 -0.9964 H 1 UNL1111111111 0.2608 26 H 5.0691 1.4429 -1.3219 H 1 UNL1111111111 0.2498 27 H 3.8170 -2.1016 0.8448 H 1 UNL1111111111 0.3035 28 H 5.4966 -1.5751 0.7860 H 1 UNL1111111111 0.3027 29 H 4.3352 -0.7083 1.8019 H 1 UNL1111111111 0.2909 30 O -4.2330 -1.8105 -0.4130 O.3 1 UNL1111111111 -0.4443 31 HA -2.4970 -0.0887 -1.2387 H 1 UNL1111111111 0.1488 32 H -0.4638 -1.9550 0.9790 H 1 UNL1111111111 0.2219 33 H -0.9723 2.2802 0.3990 H 1 UNL1111111111 0.2183 34 H 1.9581 -1.7376 0.6027 H 1 UNL1111111111 0.2118 35 H 1.4902 2.5131 0.0209 H 1 UNL1111111111 0.2278 36 H -5.0679 -2.3420 -0.3968 H 1 UNL1111111111 0.3753 @BOND 1 1 17 1 2 1 18 1 3 2 13 ar 4 3 9 1 5 4 3 1 6 4 15 ar 7 5 2 1 8 5 19 1 9 5 20 1 10 6 9 1 11 6 21 1 12 6 22 1 13 6 23 1 14 7 24 1 15 7 25 1 16 7 26 1 17 8 27 1 18 8 28 1 19 8 29 1 20 9 7 1 21 9 8 1 22 10 11 1 23 10 30 1 24 11 1 1 25 11 5 1 26 11 31 1 27 12 2 ar 28 12 14 ar 29 12 32 1 30 13 15 ar 31 13 33 1 32 14 4 ar 33 14 34 1 34 15 35 1 35 16 10 2 36 30 36 1